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

Systemtic Name: 5-(1,4,4-trimethyl-2-sulfanylidene-3,1-benzoxazin-6-yl)-1H-pyrrole-2-carbonitrile Openeye Name: 5-(1,4,4-trimethyl-2-thioxo-3,1-benzoxazin-6-yl)-1H-pyrrole-2-carbonitrile CAS Name: 5-(1,4,4-trimethyl-2-sulfanylidene-3,1-benzoxazin-6-yl)-1H-pyrrole-2-carbonitrile IUPAC Name: 5-(1,4,4-trimethyl-2-sulfanylidene-3,1-benzoxazin-6-yl)-1H-pyrrole-2-carbonitrile Traditional Name: 5-(1,4,4-trimethyl-2-thioxo-3,1-benzoxazin-6-yl)-1H-pyrrole-2-carbonitrile Formula: C16H15N3OS MolecularWeight: 297.3748

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)C3=CC=C(N3)C#N)N(C(=S)O1)C)C

Isomeric SMILES

CC1(C2=C(C=CC(=C2)C3=CC=C(N3)C#N)N(C(=S)O1)C)C

InChI

InChI=1S/C16H15N3OS/c1-16(2)12-8-10(13-6-5-11(9-17)18-13)4-7-14(12)19(3)15(21)20-16/h4-8,18H,1-3H3