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

Systemtic Name: 5-(5-methyl-2-sulfanylidene-5-thiophen-3-yl-1H-4,1-benzoxazepin-7-yl)-1H-pyrrole-2-carbonitrile Openeye Name: 5-[5-methyl-5-(3-thienyl)-2-thioxo-1H-4,1-benzoxazepin-7-yl]-1H-pyrrole-2-carbonitrile CAS Name: 5-[5-methyl-2-sulfanylidene-5-(3-thiophenyl)-1H-4,1-benzoxazepin-7-yl]-1H-pyrrole-2-carbonitrile IUPAC Name: 5-(5-methyl-2-sulfanylidene-5-thiophen-3-yl-1H-4,1-benzoxazepin-7-yl)-1H-pyrrole-2-carbonitrile Traditional Name: 5-[5-methyl-5-(3-thienyl)-2-thioxo-1H-4,1-benzoxazepin-7-yl]-1H-pyrrole-2-carbonitrile Formula: C19H15N3OS2 MolecularWeight: 365.4719

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)C3=CC=C(N3)C#N)NC(=S)CO1)C4=CSC=C4

Isomeric SMILES

CC1(C2=C(C=CC(=C2)C3=CC=C(N3)C#N)NC(=S)CO1)C4=CSC=C4

InChI

InChI=1S/C19H15N3OS2/c1-19(13-6-7-25-11-13)15-8-12(16-5-3-14(9-20)21-16)2-4-17(15)22-18(24)10-23-19/h2-8,11,21H,10H2,1H3,(H,22,24)