2-[[(5Z)-5-indol-3-ylidene-4-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole

Systemtic Name: 2-[[(5Z)-5-indol-3-ylidene-4-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole Openeye Name: 2-[[(5Z)-5-indol-3-ylidene-4-(m-tolyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole CAS Name: 2-[[[(5Z)-5-(3-indolylidene)-4-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-1,3-benzothiazole IUPAC Name: 2-[[(5Z)-5-indol-3-ylidene-4-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole Traditional Name: 2-[[[(5Z)-5-indol-3-ylidene-4-(m-tolyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-1,3-benzothiazole Formula: C25H19N5S2 MolecularWeight: 453.58186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=C3C=NC4=CC=CC=C43)NN=C2SCC5=NC6=CC=CC=C6S5

Isomeric SMILES

CC1=CC(=CC=C1)N2/C(=C\3/C=NC4=CC=CC=C43)/NN=C2SCC5=NC6=CC=CC=C6S5

InChI

InChI=1S/C25H19N5S2/c1-16-7-6-8-17(13-16)30-24(19-14-26-20-10-3-2-9-18(19)20)28-29-25(30)31-15-23-27-21-11-4-5-12-22(21)32-23/h2-14,28H,15H2,1H3/b24-19-