N-(1,3-benzodioxol-5-yl)-3-[[(5Z)-5-indol-3-ylidene-4-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-3-[[(5Z)-5-indol-3-ylidene-4-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-3-[[(5Z)-5-indol-3-ylidene-4-(m-tolyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-3-[[(5Z)-5-(3-indolylidene)-4-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-3-[[(5Z)-5-indol-3-ylidene-4-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-3-[[(5Z)-5-indol-3-ylidene-4-(m-tolyl)-1H-1,2,4-triazol-3-yl]thio]propionamide Formula: C27H23N5O3S MolecularWeight: 497.56822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=C3C=NC4=CC=CC=C43)NN=C2SCCC(=O)NC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=CC(=CC=C1)N2/C(=C\3/C=NC4=CC=CC=C43)/NN=C2SCCC(=O)NC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C27H23N5O3S/c1-17-5-4-6-19(13-17)32-26(21-15-28-22-8-3-2-7-20(21)22)30-31-27(32)36-12-11-25(33)29-18-9-10-23-24(14-18)35-16-34-23/h2-10,13-15,30H,11-12,16H2,1H3,(H,29,33)/b26-21-