3-methyl-6-(4-thiophen-2-yl-1,3-dihydro-1,5-benzodiazepin-2-ylidene)cyclohexa-2,4-dien-1-one

Systemtic Name: 3-methyl-6-(4-thiophen-2-yl-1,3-dihydro-1,5-benzodiazepin-2-ylidene)cyclohexa-2,4-dien-1-one Openeye Name: 3-methyl-6-[4-(2-thienyl)-1,3-dihydro-1,5-benzodiazepin-2-ylidene]cyclohexa-2,4-dien-1-one CAS Name: 3-methyl-6-(4-thiophen-2-yl-1,3-dihydro-1,5-benzodiazepin-2-ylidene)-1-cyclohexa-2,4-dienone IUPAC Name: 3-methyl-6-(4-thiophen-2-yl-1,3-dihydro-1,5-benzodiazepin-2-ylidene)cyclohexa-2,4-dien-1-one Traditional Name: 3-methyl-6-[4-(2-thienyl)-1,3-dihydro-1,5-benzodiazepin-2-ylidene]cyclohexa-2,4-dien-1-one Formula: C20H16N2OS MolecularWeight: 332.41884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C2CC(=NC3=CC=CC=C3N2)C4=CC=CS4)C=C1

Isomeric SMILES

CC1=CC(=O)C(=C2CC(=NC3=CC=CC=C3N2)C4=CC=CS4)C=C1

InChI

InChI=1S/C20H16N2OS/c1-13-8-9-14(19(23)11-13)17-12-18(20-7-4-10-24-20)22-16-6-3-2-5-15(16)21-17/h2-11,21H,12H2,1H3