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

Systemtic Name: 5-(4,4-diethyl-2-sulfanylidene-1H-3,1-benzoxazin-6-yl)-1-methyl-pyrrole-2-carbonitrile Openeye Name: 5-(4,4-diethyl-2-thioxo-1H-3,1-benzoxazin-6-yl)-1-methyl-pyrrole-2-carbonitrile CAS Name: 5-(4,4-diethyl-2-sulfanylidene-1H-3,1-benzoxazin-6-yl)-1-methyl-2-pyrrolecarbonitrile IUPAC Name: 5-(4,4-diethyl-2-sulfanylidene-1H-3,1-benzoxazin-6-yl)-1-methylpyrrole-2-carbonitrile Traditional Name: 5-(4,4-diethyl-2-thioxo-1H-3,1-benzoxazin-6-yl)-1-methyl-pyrrole-2-carbonitrile Formula: C18H19N3OS MolecularWeight: 325.42796

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=C(C=CC(=C2)C3=CC=C(N3C)C#N)NC(=S)O1)CC

Isomeric SMILES

CCC1(C2=C(C=CC(=C2)C3=CC=C(N3C)C#N)NC(=S)O1)CC

InChI

InChI=1S/C18H19N3OS/c1-4-18(5-2)14-10-12(6-8-15(14)20-17(23)22-18)16-9-7-13(11-19)21(16)3/h6-10H,4-5H2,1-3H3,(H,20,23)