1-methyl-5-(4-methyl-2-sulfanylidene-4-thiophen-2-yl-1H-3,1-benzoxazin-6-yl)pyrrole-2-carbonitrile

Systemtic Name: 1-methyl-5-(4-methyl-2-sulfanylidene-4-thiophen-2-yl-1H-3,1-benzoxazin-6-yl)pyrrole-2-carbonitrile Openeye Name: 1-methyl-5-[4-methyl-4-(2-thienyl)-2-thioxo-1H-3,1-benzoxazin-6-yl]pyrrole-2-carbonitrile CAS Name: 1-methyl-5-(4-methyl-2-sulfanylidene-4-thiophen-2-yl-1H-3,1-benzoxazin-6-yl)-2-pyrrolecarbonitrile IUPAC Name: 1-methyl-5-(4-methyl-2-sulfanylidene-4-thiophen-2-yl-1H-3,1-benzoxazin-6-yl)pyrrole-2-carbonitrile Traditional Name: 1-methyl-5-[4-methyl-4-(2-thienyl)-2-thioxo-1H-3,1-benzoxazin-6-yl]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(N3C)C#N)NC(=S)O1)C4=CC=CS4

Isomeric SMILES

CC1(C2=C(C=CC(=C2)C3=CC=C(N3C)C#N)NC(=S)O1)C4=CC=CS4

InChI

InChI=1S/C19H15N3OS2/c1-19(17-4-3-9-25-17)14-10-12(5-7-15(14)21-18(24)23-19)16-8-6-13(11-20)22(16)2/h3-10H,1-2H3,(H,21,24)