(3E)-1-methyl-5-phenyl-3-(thiophen-3-ylmethylidene)-1,4-benzodiazepin-2-one

Systemtic Name: (3E)-1-methyl-5-phenyl-3-(thiophen-3-ylmethylidene)-1,4-benzodiazepin-2-one Openeye Name: (3E)-1-methyl-5-phenyl-3-(3-thienylmethylene)-1,4-benzodiazepin-2-one CAS Name: (3E)-1-methyl-5-phenyl-3-(3-thiophenylmethylidene)-1,4-benzodiazepin-2-one IUPAC Name: (3E)-1-methyl-5-phenyl-3-(thiophen-3-ylmethylidene)-1,4-benzodiazepin-2-one Traditional Name: (3E)-1-methyl-5-phenyl-3-(3-thenylidene)-1,4-benzodiazepin-2-one Formula: C21H16N2OS MolecularWeight: 344.42954

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(=CC3=CSC=C3)C1=O)C4=CC=CC=C4

Isomeric SMILES

CN1C2=CC=CC=C2C(=N/C(=C/C3=CSC=C3)/C1=O)C4=CC=CC=C4

InChI

InChI=1S/C21H16N2OS/c1-23-19-10-6-5-9-17(19)20(16-7-3-2-4-8-16)22-18(21(23)24)13-15-11-12-25-14-15/h2-14H,1H3/b18-13+