[5-methylsulfanyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]carbamodithioic acid

Systemtic Name: [5-methylsulfanyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]carbamodithioic acid Openeye Name: (4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)carbamodithioic acid CAS Name: [5-(methylthio)-4-(phenylmethyl)-1,2,4-triazol-3-yl]carbamodithioic acid IUPAC Name: (4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)carbamodithioic acid Traditional Name: [4-benzyl-5-(methylthio)-1,2,4-triazol-3-yl]carbamodithioic acid Formula: C11H12N4S3 MolecularWeight: 296.43478

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(N1CC2=CC=CC=C2)NC(=S)S

Isomeric SMILES

CSC1=NN=C(N1CC2=CC=CC=C2)NC(=S)S

InChI

InChI=1S/C11H12N4S3/c1-18-10-14-13-9(12-11(16)17)15(10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,12,13,16,17)