4-[4-(furan-2-ylmethyl)-3-(phenylmethylsulfanyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[4-(furan-2-ylmethyl)-3-(phenylmethylsulfanyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[3-benzylsulfanyl-4-(2-furylmethyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[4-(2-furanylmethyl)-3-(phenylmethylthio)-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[3-benzylsulfanyl-4-(furan-2-ylmethyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[3-(benzylthio)-4-(2-furfuryl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Formula: C20H17N3O2S MolecularWeight: 363.43288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NNC(=C3C=CC(=O)C=C3)N2CC4=CC=CO4

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NNC(=C3C=CC(=O)C=C3)N2CC4=CC=CO4

InChI

InChI=1S/C20H17N3O2S/c24-17-10-8-16(9-11-17)19-21-22-20(23(19)13-18-7-4-12-25-18)26-14-15-5-2-1-3-6-15/h1-12,21H,13-14H2