6-methyl-2-phenyl-7-pyrrolidin-1-yl-4-sulfanylidene-1H-1,3-diazepin-5-one

Systemtic Name: 6-methyl-2-phenyl-7-pyrrolidin-1-yl-4-sulfanylidene-1H-1,3-diazepin-5-one Openeye Name: 6-methyl-2-phenyl-7-pyrrolidin-1-yl-4-thioxo-1H-1,3-diazepin-5-one CAS Name: 6-methyl-2-phenyl-7-(1-pyrrolidinyl)-4-sulfanylidene-1H-1,3-diazepin-5-one IUPAC Name: 6-methyl-2-phenyl-7-pyrrolidin-1-yl-4-sulfanylidene-1H-1,3-diazepin-5-one Traditional Name: 6-methyl-2-phenyl-7-pyrrolidino-4-thioxo-1H-1,3-diazepin-5-one Formula: C16H17N3OS MolecularWeight: 299.39068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC(=S)C1=O)C2=CC=CC=C2)N3CCCC3

Isomeric SMILES

CC1=C(NC(=NC(=S)C1=O)C2=CC=CC=C2)N3CCCC3

InChI

InChI=1S/C16H17N3OS/c1-11-13(20)16(21)18-14(12-7-3-2-4-8-12)17-15(11)19-9-5-6-10-19/h2-4,7-8H,5-6,9-10H2,1H3,(H,17,18,20,21)