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

Systemtic Name: 3-[[(5Z)-4-hexyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[(5Z)-4-hexyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[[(5Z)-4-hexyl-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[(5Z)-4-hexyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[[(5Z)-4-hexyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4-one Formula: C24H25N7OS MolecularWeight: 459.5666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=C2C=NC3=CC=CC=C32)NN=C1SCN4C(=O)C5=CC=CC=C5N=N4

Isomeric SMILES

CCCCCCN1/C(=C\2/C=NC3=CC=CC=C32)/NN=C1SCN4C(=O)C5=CC=CC=C5N=N4

InChI

InChI=1S/C24H25N7OS/c1-2-3-4-9-14-30-22(19-15-25-20-12-7-5-10-17(19)20)27-28-24(30)33-16-31-23(32)18-11-6-8-13-21(18)26-29-31/h5-8,10-13,15,27H,2-4,9,14,16H2,1H3/b22-19-