1-methyl-5-(5-methyl-2-sulfanylidene-5-thiophen-3-yl-1H-4,1-benzoxazepin-7-yl)pyrrole-2-carbonitrile

Systemtic Name: 1-methyl-5-(5-methyl-2-sulfanylidene-5-thiophen-3-yl-1H-4,1-benzoxazepin-7-yl)pyrrole-2-carbonitrile Openeye Name: 1-methyl-5-[5-methyl-5-(3-thienyl)-2-thioxo-1H-4,1-benzoxazepin-7-yl]pyrrole-2-carbonitrile CAS Name: 1-methyl-5-[5-methyl-2-sulfanylidene-5-(3-thiophenyl)-1H-4,1-benzoxazepin-7-yl]-2-pyrrolecarbonitrile IUPAC Name: 1-methyl-5-(5-methyl-2-sulfanylidene-5-thiophen-3-yl-1H-4,1-benzoxazepin-7-yl)pyrrole-2-carbonitrile Traditional Name: 1-methyl-5-[5-methyl-5-(3-thienyl)-2-thioxo-1H-4,1-benzoxazepin-7-yl]pyrrole-2-carbonitrile Formula: C20H17N3OS2 MolecularWeight: 379.49848

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)C3=CC=C(N3C)C#N)NC(=S)CO1)C4=CSC=C4

Isomeric SMILES

CC1(C2=C(C=CC(=C2)C3=CC=C(N3C)C#N)NC(=S)CO1)C4=CSC=C4

InChI

InChI=1S/C20H17N3OS2/c1-20(14-7-8-26-12-14)16-9-13(18-6-4-15(10-21)23(18)2)3-5-17(16)22-19(25)11-24-20/h3-9,12H,11H2,1-2H3,(H,22,25)