4-[[(5Z)-4-hexyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-chromen-2-one

Systemtic Name: 4-[[(5Z)-4-hexyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-chromen-2-one Openeye Name: 4-[[(5Z)-4-hexyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 4-[[[(5Z)-4-hexyl-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[[(5Z)-4-hexyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methylchromen-2-one Traditional Name: 4-[[[(5Z)-4-hexyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]thio]methyl]-7-methyl-coumarin Formula: C27H28N4O2S MolecularWeight: 472.60182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=C2C=NC3=CC=CC=C32)NN=C1SCC4=CC(=O)OC5=C4C=CC(=C5)C

Isomeric SMILES

CCCCCCN1/C(=C\2/C=NC3=CC=CC=C32)/NN=C1SCC4=CC(=O)OC5=C4C=CC(=C5)C

InChI

InChI=1S/C27H28N4O2S/c1-3-4-5-8-13-31-26(22-16-28-23-10-7-6-9-21(22)23)29-30-27(31)34-17-19-15-25(32)33-24-14-18(2)11-12-20(19)24/h6-7,9-12,14-16,29H,3-5,8,13,17H2,1-2H3/b26-22-