N-but-3-yn-2-yl-5-(2-chlorophenyl)-7-methylsulfanyl-3H-1,4-benzodiazepin-2-amine

Systemtic Name: N-but-3-yn-2-yl-5-(2-chlorophenyl)-7-methylsulfanyl-3H-1,4-benzodiazepin-2-amine Openeye Name: 5-(2-chlorophenyl)-N-(1-methylprop-2-ynyl)-7-methylsulfanyl-3H-1,4-benzodiazepin-2-amine CAS Name: N-but-3-yn-2-yl-5-(2-chlorophenyl)-7-(methylthio)-3H-1,4-benzodiazepin-2-amine IUPAC Name: N-but-3-yn-2-yl-5-(2-chlorophenyl)-7-methylsulfanyl-3H-1,4-benzodiazepin-2-amine Traditional Name: [5-(2-chlorophenyl)-7-(methylthio)-3H-1,4-benzodiazepin-2-yl]-(1-methylprop-2-ynyl)amine Formula: C20H18ClN3S MolecularWeight: 367.89502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#C)NC1=NC2=C(C=C(C=C2)SC)C(=NC1)C3=CC=CC=C3Cl

Isomeric SMILES

CC(C#C)NC1=NC2=C(C=C(C=C2)SC)C(=NC1)C3=CC=CC=C3Cl

InChI

InChI=1S/C20H18ClN3S/c1-4-13(2)23-19-12-22-20(15-7-5-6-8-17(15)21)16-11-14(25-3)9-10-18(16)24-19/h1,5-11,13H,12H2,2-3H3,(H,23,24)