5-phenyl-N-prop-2-ynyl-3-thiophen-2-yl-3H-1,4-benzodiazepin-2-amine

Systemtic Name: 5-phenyl-N-prop-2-ynyl-3-thiophen-2-yl-3H-1,4-benzodiazepin-2-amine Openeye Name: 5-phenyl-N-prop-2-ynyl-3-(2-thienyl)-3H-1,4-benzodiazepin-2-amine CAS Name: 5-phenyl-N-prop-2-ynyl-3-thiophen-2-yl-3H-1,4-benzodiazepin-2-amine IUPAC Name: 5-phenyl-N-prop-2-ynyl-3-thiophen-2-yl-3H-1,4-benzodiazepin-2-amine Traditional Name: [5-phenyl-3-(2-thienyl)-3H-1,4-benzodiazepin-2-yl]-propargyl-amine Formula: C22H17N3S MolecularWeight: 355.45548

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC1=NC2=CC=CC=C2C(=NC1C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

C#CCNC1=NC2=CC=CC=C2C(=NC1C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C22H17N3S/c1-2-14-23-22-21(19-13-8-15-26-19)25-20(16-9-4-3-5-10-16)17-11-6-7-12-18(17)24-22/h1,3-13,15,21H,14H2,(H,23,24)