cyclopropyl-[4-[[3-methyl-4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: cyclopropyl-[4-[[3-methyl-4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-4-ium-1-yl]methanone Openeye Name: [4-[(4-benzyl-3-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-yl]-cyclopropyl-methanone CAS Name: cyclopropyl-[4-[[3-methyl-4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: [4-[(4-benzyl-3-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-yl]-cyclopropylmethanone Traditional Name: [4-[(4-benzyl-3-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-yl]-cyclopropyl-methanone Formula: C19H26N5OS+ MolecularWeight: 372.50764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1CC2=CC=CC=C2)C[NH+]3CCN(CC3)C(=O)C4CC4

Isomeric SMILES

CC1=NN(C(=S)N1CC2=CC=CC=C2)C[NH+]3CCN(CC3)C(=O)C4CC4

InChI

InChI=1S/C19H25N5OS/c1-15-20-24(19(26)23(15)13-16-5-3-2-4-6-16)14-21-9-11-22(12-10-21)18(25)17-7-8-17/h2-6,17H,7-14H2,1H3/p+1