6-[4-azanyl-3-(3-phenylpropylsulfanyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[4-azanyl-3-(3-phenylpropylsulfanyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[4-amino-3-(3-phenylpropylsulfanyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one CAS Name: 6-[4-amino-3-(3-phenylpropylthio)-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[4-amino-3-(3-phenylpropylsulfanyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[4-amino-3-(3-phenylpropylthio)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Formula: C17H18N4OS MolecularWeight: 326.41602

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCSC2=NNC(=C3C=CC=CC3=O)N2N

Isomeric SMILES

C1=CC=C(C=C1)CCCSC2=NNC(=C3C=CC=CC3=O)N2N

InChI

InChI=1S/C17H18N4OS/c18-21-16(14-10-4-5-11-15(14)22)19-20-17(21)23-12-6-9-13-7-2-1-3-8-13/h1-5,7-8,10-11,19H,6,9,12,18H2