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

Systemtic Name: 3-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[[4-cyclopropyl-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)thio]methyl]-1,2,3-benzotriazin-4-one Formula: C21H17N7OS MolecularWeight: 415.47098

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=C3C=NC4=CC=CC=C43)NN=C2SCN5C(=O)C6=CC=CC=C6N=N5

Isomeric SMILES

C1CC1N2C(=C3C=NC4=CC=CC=C43)NN=C2SCN5C(=O)C6=CC=CC=C6N=N5

InChI

InChI=1S/C21H17N7OS/c29-20-15-6-2-4-8-18(15)23-26-27(20)12-30-21-25-24-19(28(21)13-9-10-13)16-11-22-17-7-3-1-5-14(16)17/h1-8,11,13,24H,9-10,12H2