3-[4-methyl-3-(phenylmethylsulfanyl)-1H-1,2,4-triazol-5-ylidene]indole

Systemtic Name: 3-[4-methyl-3-(phenylmethylsulfanyl)-1H-1,2,4-triazol-5-ylidene]indole Openeye Name: 3-(3-benzylsulfanyl-4-methyl-1H-1,2,4-triazol-5-ylidene)indole CAS Name: 3-[4-methyl-3-(phenylmethylthio)-1H-1,2,4-triazol-5-ylidene]indole IUPAC Name: 3-(3-benzylsulfanyl-4-methyl-1H-1,2,4-triazol-5-ylidene)indole Traditional Name: 3-[3-(benzylthio)-4-methyl-1H-1,2,4-triazol-5-ylidene]indole Formula: C18H16N4S MolecularWeight: 320.41144

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2C=NC3=CC=CC=C32)NN=C1SCC4=CC=CC=C4

Isomeric SMILES

CN1C(=C2C=NC3=CC=CC=C32)NN=C1SCC4=CC=CC=C4

InChI

InChI=1S/C18H16N4S/c1-22-17(15-11-19-16-10-6-5-9-14(15)16)20-21-18(22)23-12-13-7-3-2-4-8-13/h2-11,20H,12H2,1H3