[3-(3-azanyl-3-oxidanylidene-propyl)-4-cyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-[(5-methylthiophen-2-yl)methyl]-phenethyl-azanium

Systemtic Name: [3-(3-azanyl-3-oxidanylidene-propyl)-4-cyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-[(5-methylthiophen-2-yl)methyl]-phenethyl-azanium Openeye Name: [3-(3-amino-3-oxo-propyl)-4-cyclopropyl-5-thioxo-1,2,4-triazol-1-yl]methyl-[(5-methyl-2-thienyl)methyl]-phenethyl-ammonium CAS Name: [3-(3-amino-3-oxopropyl)-4-cyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-[(5-methyl-2-thiophenyl)methyl]-phenethylammonium IUPAC Name: [3-(3-amino-3-oxopropyl)-4-cyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-[(5-methylthiophen-2-yl)methyl]-phenethylazanium Traditional Name: [3-(3-amino-3-keto-propyl)-4-cyclopropyl-5-thioxo-1,2,4-triazol-1-yl]methyl-[(5-methyl-2-thienyl)methyl]-phenethyl-ammonium Formula: C23H30N5OS2+ MolecularWeight: 456.6472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C[NH+](CCC2=CC=CC=C2)CN3C(=S)N(C(=N3)CCC(=O)N)C4CC4

Isomeric SMILES

CC1=CC=C(S1)C[NH+](CCC2=CC=CC=C2)CN3C(=S)N(C(=N3)CCC(=O)N)C4CC4

InChI

InChI=1S/C23H29N5OS2/c1-17-7-10-20(31-17)15-26(14-13-18-5-3-2-4-6-18)16-27-23(30)28(19-8-9-19)22(25-27)12-11-21(24)29/h2-7,10,19H,8-9,11-16H2,1H3,(H2,24,29)/p+1