(4-cyclopropyl-3-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(1S)-2,3-dihydro-1H-inden-1-yl]-methyl-azanium

Systemtic Name: (4-cyclopropyl-3-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(1S)-2,3-dihydro-1H-inden-1-yl]-methyl-azanium Openeye Name: (4-cyclopropyl-3-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl-[(1S)-indan-1-yl]-methyl-ammonium CAS Name: (4-cyclopropyl-3-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(1S)-2,3-dihydro-1H-inden-1-yl]-methylammonium IUPAC Name: (4-cyclopropyl-3-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(1S)-2,3-dihydro-1H-inden-1-yl]-methylazanium Traditional Name: (4-cyclopropyl-3-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl-[(1S)-indan-1-yl]-methyl-ammonium Formula: C17H23N4S+ MolecularWeight: 315.45632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1C2CC2)C[NH+](C)C3CCC4=CC=CC=C34

Isomeric SMILES

CC1=NN(C(=S)N1C2CC2)C[NH+](C)[C@H]3CCC4=CC=CC=C34

InChI

InChI=1S/C17H22N4S/c1-12-18-20(17(22)21(12)14-8-9-14)11-19(2)16-10-7-13-5-3-4-6-15(13)16/h3-6,14,16H,7-11H2,1-2H3/p+1/t16-/m0/s1